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canSAR1094029
FEATURES
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NAMES
    SMILES
    Cc1ccnc(C(=O)N[C@H]2CCC[C@H](NC(=O)c3cccc(Cl)c3)C2)c1
    InChI
    InChI=1S/C20H22ClN3O2/c1-13-8-9-22-18(10-13)20(26)24-17-7-3-6-16(12-17)23-19(25)14-4-2-5-15(21)11-14/h2,4-5,8-11,16-17H,3,6-7,12H2,1H3,(H,23,25)(H,24,26)/t16-,17-/m0/s1
    MOLECULAR FORMULA
    C20H22ClN3O2
    CROSS REFERENCES
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    canSAR1094029

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 371.14
    AlogP 3.51
    HBond donors 2
    HBond acceptors 5
    Atoms 48
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1094029.